2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole

C10H13N5O2S2 — CID 47267371

IUPAC2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13N5O2S2/c16-19(17,9-7-12-13-8-9)15-4-2-14(3-5-15)10-11-1-6-18-10/h1,6-8H,2-5H2,(H,12,13)
InChIKeyOPXMJZAQIJDJCV-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.38
Rot. Bonds3

About 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole

2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 47267371) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
PubChem CID47267371
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13N5O2S2/c16-19(17,9-7-12-13-8-9)15-4-2-14(3-5-15)10-11-1-6-18-10/h1,6-8H,2-5H2,(H,12,13)
InChIKeyOPXMJZAQIJDJCV-UHFFFAOYSA-N
XLogP0.38
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627168
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
1-(2-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60916370
1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60915587
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 17447833
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 25476221
2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 86870379
4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 60724620
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole (CID 47267371) is 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole is O=S(=O)(c1cn[nH]c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is OPXMJZAQIJDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c16-19(17,9-7-12-13-8-9)15-4-2-14(3-5-15)10-11-1-6-18-10/h1,6-8H,2-5H2,(H,12,13).
What are the key properties of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 299.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 47267371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).